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CHEBI:234004 - pyroxasulfone

ChEBI IDCHEBI:234004
ChEBI Namepyroxasulfone
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole substituted by methyl, trifluoromethyl, (5,5-dimethyl-4,5-dihydro-1,2-oxazole-3-sulfonyl)methyl, and difluoromethoxy groups at positions 1, 3, 4, and 5, respectively. It is a herbicide that inhibits the biosynthesis of very-long-chain fatty acids and used for the pre-emergent control of annual ryegrass, barley grass, and suppression of specific grass weeds in wheat.
Last Modified11 April 2025
SubmitterAdnan
DownloadsMolfile
FormulaC12H14F5N3O4S
Net Charge0
Average Mass391.318
Monoisotopic Mass391.06252
SMILESCn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1OC(F)F
InChIInChI=1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3
InChIKeyCASLETQIYIQFTQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pyroxasulfone (CHEBI:234004) has role herbicide (CHEBI:24527)
pyroxasulfone (CHEBI:234004) is a aromatic ether (CHEBI:35618)
pyroxasulfone (CHEBI:234004) is a isoxazoline (CHEBI:87553)
pyroxasulfone (CHEBI:234004) is a organofluorine compound (CHEBI:37143)
pyroxasulfone (CHEBI:234004) is a pyrazoles (CHEBI:26410)
pyroxasulfone (CHEBI:234004) is a sulfone (CHEBI:35850)
IUPAC Name 
3-({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfonyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole
Synonyms  Source
3-{[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanesulfonyl}-5,5-dimethyl-4,5-dihydro-1,2-oxazoleIUPAC
3-{[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl](methanesulfonyl)}-5,5-dimethyl-4,5-dihydro-1,2-oxazoleAlan Wood's Pesticides
[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4,5-dihydro-5,5-dimethylisoxazol-3-yl sulfoneAlan Wood's Pesticides
3-({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfonyl)-4,5-dihydro-5,5-dimethylisoxazoleAlan Wood's Pesticides
3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazoleAlan Wood's Pesticides
KIH-485PPDB
Brand Name  Source
SakuraPPDB
Manual XrefsDatabases
pyroxasulfoneAlan Wood's Pesticides
PyroxasulfoneWikipedia
1367PPDB
Registry NumbersSources
CAS:447399-55-5Alan Wood's Pesticides
Citations